Methyl 3-formylbenzoate → HCID 67010416, compound
Reaction equation
[CH3:32][O:33][C:34]([c:35]1[cH:36][c:37]([CH:41]=[O:42])[cH:38][cH:39][cH:40]1)=[O:43].[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([CH2:16][NH2:17])[n:14][o:15]2)([F:18])[CH:19]2[CH2:20][c:21]3[c:22]([nH:23][c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][c:29]34)[CH2:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([CH2:16][NH:17][CH2:41][c:37]3[cH:36][c:35]([C:34]([O:33][CH3:32])=[O:43])[cH:40][cH:39][cH:38]3)[n:14][o:15]2)([F:18])[CH:19]2[CH2:20][c:21]3[c:22]([nH:23][c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][c:29]34)[CH2:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-c54216d42c8547fc81c49a383c3735ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…